Geometry & MOs

Info

ID:	17738
PubChem CID:	515992
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	8.62
IP(EA), eV:	-9.43(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2,6-dimethyl-4-(4-nitrophenyl)phenoxy]propyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations